Drug Details

Name:

CHEMBL87070

PubChem ID:

11123269

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)

SMILES:

OC(=O)c1n(CC2CCCCC2)nc(c1Cc1cc2OCOc2cc1Cl)c1ccccc1

Properties:

Formula:	C25H25ClN2O4	Atoms:	32
Molecular Weight:	452.93	Rotatable Bonds:	6
H-bond Acceptors:	6	H-bond Donors:	1
logP:	5.8015

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_RAT	BindingDB	-	shows

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Synonyms:

4-[(6-chlorobenzo[1,3]dioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenyl-py

CHEBI:239279

CHEMBL87070

CID11123269

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